USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 ASN : amide:sc= 0.0565 X(o=0.3,f=0.0092) USER MOD Set 1.2: A 75 SER OG : rot 108:sc= 0.183 USER MOD Set 1.3: A 76 THR OG1 : rot 180:sc= 0.0625 USER MOD Single : A 64 ASN : amide:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 70 TYR OH : rot 178:sc= 0.393 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.4!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 165:sc= -0.0356 (180deg=-0.284) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -172:sc= -0.405 (180deg=-0.445) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.17) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0248) USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 60 -4.865 -9.721 -0.400 1.00 0.00 N ATOM 28 CA ILE A 60 -5.747 -9.054 -1.332 1.00 0.00 C ATOM 29 C ILE A 60 -6.692 -8.173 -0.587 1.00 0.00 C ATOM 30 O ILE A 60 -6.715 -6.961 -0.787 1.00 0.00 O ATOM 31 CB ILE A 60 -6.621 -9.897 -2.249 1.00 0.00 C ATOM 32 CG1 ILE A 60 -7.182 -11.241 -1.701 1.00 0.00 C ATOM 33 CG2 ILE A 60 -5.843 -10.027 -3.568 1.00 0.00 C ATOM 34 CD1 ILE A 60 -6.152 -12.254 -1.218 1.00 0.00 C ATOM 0 HA ILE A 60 -5.032 -8.546 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.571 -9.377 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.857 -11.019 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.780 -11.707 -2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.420 -10.625 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.671 -9.036 -3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.885 -10.512 -3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.662 -13.148 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.489 -12.519 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.568 -11.820 -0.407 1.00 0.00 H new ATOM 46 N ALA A 61 -7.501 -8.788 0.304 1.00 0.00 N ATOM 47 CA ALA A 61 -8.455 -8.104 1.123 1.00 0.00 C ATOM 48 C ALA A 61 -7.718 -7.728 2.353 1.00 0.00 C ATOM 49 O ALA A 61 -8.261 -7.094 3.252 1.00 0.00 O ATOM 50 CB ALA A 61 -9.627 -8.995 1.557 1.00 0.00 C ATOM 0 H ALA A 61 -7.488 -9.796 0.457 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.871 -7.268 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.314 -8.417 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.152 -9.360 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.248 -9.841 2.130 1.00 0.00 H new ATOM 56 N ARG A 62 -6.440 -8.130 2.392 1.00 0.00 N ATOM 57 CA ARG A 62 -5.518 -7.792 3.415 1.00 0.00 C ATOM 58 C ARG A 62 -5.085 -6.385 3.168 1.00 0.00 C ATOM 59 O ARG A 62 -4.929 -5.610 4.107 1.00 0.00 O ATOM 60 CB ARG A 62 -4.297 -8.716 3.344 1.00 0.00 C ATOM 61 CG ARG A 62 -4.682 -10.196 3.230 1.00 0.00 C ATOM 62 CD ARG A 62 -3.540 -11.112 3.677 1.00 0.00 C ATOM 63 NE ARG A 62 -3.485 -11.068 5.167 1.00 0.00 N ATOM 64 CZ ARG A 62 -2.990 -12.113 5.890 1.00 0.00 C ATOM 65 NH1 ARG A 62 -2.367 -13.157 5.270 1.00 0.00 N ATOM 66 NH2 ARG A 62 -3.127 -12.114 7.248 1.00 0.00 N ATOM 0 H ARG A 62 -6.032 -8.723 1.669 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.978 -7.899 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.684 -8.437 2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.685 -8.571 4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.565 -10.391 3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.950 -10.424 2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.708 -12.131 3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.594 -10.781 3.249 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.825 -10.239 5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.267 -13.161 4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.001 -13.933 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.596 -11.337 7.714 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.760 -12.891 7.797 1.00 0.00 H new ATOM 80 N ILE A 63 -4.894 -6.028 1.877 1.00 0.00 N ATOM 81 CA ILE A 63 -4.554 -4.735 1.416 1.00 0.00 C ATOM 82 C ILE A 63 -5.734 -3.851 1.543 1.00 0.00 C ATOM 83 O ILE A 63 -5.594 -2.718 1.986 1.00 0.00 O ATOM 84 CB ILE A 63 -4.198 -4.771 -0.041 1.00 0.00 C ATOM 85 CG1 ILE A 63 -3.384 -6.039 -0.331 1.00 0.00 C ATOM 86 CG2 ILE A 63 -3.384 -3.508 -0.292 1.00 0.00 C ATOM 87 CD1 ILE A 63 -2.754 -6.087 -1.725 1.00 0.00 C ATOM 0 H ILE A 63 -4.987 -6.700 1.115 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.710 -4.376 2.005 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.071 -4.799 -0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.593 -6.125 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.032 -6.907 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.089 -3.468 -1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.987 -2.633 -0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.493 -3.519 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.198 -7.018 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.538 -6.036 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.076 -5.242 -1.847 1.00 0.00 H new ATOM 99 N ASN A 64 -6.923 -4.358 1.155 1.00 0.00 N ATOM 100 CA ASN A 64 -8.150 -3.611 1.261 1.00 0.00 C ATOM 101 C ASN A 64 -8.374 -3.196 2.677 1.00 0.00 C ATOM 102 O ASN A 64 -8.787 -2.072 2.960 1.00 0.00 O ATOM 103 CB ASN A 64 -9.364 -4.465 0.879 1.00 0.00 C ATOM 104 CG ASN A 64 -10.558 -3.558 0.589 1.00 0.00 C ATOM 105 OD1 ASN A 64 -11.448 -3.384 1.430 1.00 0.00 O ATOM 106 ND2 ASN A 64 -10.572 -2.979 -0.651 1.00 0.00 N ATOM 0 H ASN A 64 -7.037 -5.293 0.764 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.053 -2.757 0.591 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.134 -5.071 0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.606 -5.154 1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.344 -2.369 -0.920 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.811 -3.158 -1.306 1.00 0.00 H new ATOM 113 N ALA A 65 -8.078 -4.132 3.594 1.00 0.00 N ATOM 114 CA ALA A 65 -8.279 -3.946 5.004 1.00 0.00 C ATOM 115 C ALA A 65 -7.226 -3.065 5.603 1.00 0.00 C ATOM 116 O ALA A 65 -7.451 -2.485 6.664 1.00 0.00 O ATOM 117 CB ALA A 65 -8.238 -5.261 5.795 1.00 0.00 C ATOM 0 H ALA A 65 -7.689 -5.044 3.354 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.268 -3.494 5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.396 -5.054 6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.022 -5.927 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.267 -5.737 5.660 1.00 0.00 H new ATOM 123 N ALA A 66 -6.051 -2.940 4.955 1.00 0.00 N ATOM 124 CA ALA A 66 -4.997 -2.143 5.516 1.00 0.00 C ATOM 125 C ALA A 66 -5.187 -0.697 5.171 1.00 0.00 C ATOM 126 O ALA A 66 -4.857 0.180 5.968 1.00 0.00 O ATOM 127 CB ALA A 66 -3.620 -2.545 4.974 1.00 0.00 C ATOM 0 H ALA A 66 -5.832 -3.380 4.061 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.038 -2.306 6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.853 -1.916 5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.423 -3.589 5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.603 -2.417 3.892 1.00 0.00 H new ATOM 133 N VAL A 67 -5.695 -0.421 3.953 1.00 0.00 N ATOM 134 CA VAL A 67 -5.629 0.897 3.385 1.00 0.00 C ATOM 135 C VAL A 67 -6.856 1.694 3.699 1.00 0.00 C ATOM 136 O VAL A 67 -6.936 2.867 3.334 1.00 0.00 O ATOM 137 CB VAL A 67 -5.466 0.890 1.883 1.00 0.00 C ATOM 138 CG1 VAL A 67 -4.141 0.206 1.502 1.00 0.00 C ATOM 139 CG2 VAL A 67 -6.693 0.258 1.199 1.00 0.00 C ATOM 0 H VAL A 67 -6.153 -1.112 3.359 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.747 1.350 3.838 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.413 1.916 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.031 0.205 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.309 0.749 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.143 -0.821 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.551 0.265 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.812 -0.770 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.585 0.831 1.451 1.00 0.00 H new ATOM 149 N ARG A 68 -7.844 1.086 4.389 1.00 0.00 N ATOM 150 CA ARG A 68 -9.120 1.710 4.632 1.00 0.00 C ATOM 151 C ARG A 68 -9.079 2.556 5.880 1.00 0.00 C ATOM 152 O ARG A 68 -10.085 2.722 6.569 1.00 0.00 O ATOM 153 CB ARG A 68 -10.248 0.661 4.756 1.00 0.00 C ATOM 154 CG ARG A 68 -9.960 -0.438 5.787 1.00 0.00 C ATOM 155 CD ARG A 68 -11.057 -1.501 5.864 1.00 0.00 C ATOM 156 NE ARG A 68 -12.277 -0.879 6.456 1.00 0.00 N ATOM 157 CZ ARG A 68 -13.367 -1.639 6.767 1.00 0.00 C ATOM 158 NH1 ARG A 68 -13.377 -2.978 6.498 1.00 0.00 N ATOM 159 NH2 ARG A 68 -14.455 -1.056 7.352 1.00 0.00 N ATOM 0 H ARG A 68 -7.759 0.150 4.784 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.332 2.349 3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.174 1.167 5.028 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.411 0.199 3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.014 -0.920 5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.837 0.019 6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.275 -1.893 4.871 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.727 -2.343 6.473 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.297 0.126 6.630 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.566 -3.417 6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.195 -3.539 6.733 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.451 -0.056 7.555 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.272 -1.620 7.586 1.00 0.00 H new ATOM 173 N ALA A 69 -7.900 3.139 6.173 1.00 0.00 N ATOM 174 CA ALA A 69 -7.701 4.043 7.263 1.00 0.00 C ATOM 175 C ALA A 69 -7.531 5.399 6.657 1.00 0.00 C ATOM 176 O ALA A 69 -7.960 6.401 7.229 1.00 0.00 O ATOM 177 CB ALA A 69 -6.417 3.720 8.041 1.00 0.00 C ATOM 0 H ALA A 69 -7.054 2.973 5.628 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.544 3.976 7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.301 4.428 8.861 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.479 2.708 8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.559 3.794 7.373 1.00 0.00 H new ATOM 183 N TYR A 70 -6.887 5.443 5.476 1.00 0.00 N ATOM 184 CA TYR A 70 -6.510 6.678 4.849 1.00 0.00 C ATOM 185 C TYR A 70 -7.683 7.304 4.178 1.00 0.00 C ATOM 186 O TYR A 70 -7.969 8.479 4.395 1.00 0.00 O ATOM 187 CB TYR A 70 -5.447 6.481 3.758 1.00 0.00 C ATOM 188 CG TYR A 70 -4.238 5.899 4.399 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.460 6.667 5.243 1.00 0.00 C ATOM 190 CD2 TYR A 70 -3.899 4.579 4.174 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.369 6.112 5.880 1.00 0.00 C ATOM 192 CE2 TYR A 70 -2.804 4.025 4.802 1.00 0.00 C ATOM 193 CZ TYR A 70 -2.045 4.788 5.664 1.00 0.00 C ATOM 194 OH TYR A 70 -0.928 4.227 6.317 1.00 0.00 O ATOM 0 H TYR A 70 -6.623 4.612 4.947 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.115 7.305 5.648 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.820 5.820 2.976 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.207 7.432 3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.706 7.706 5.405 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.495 3.978 3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.769 6.713 6.547 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.541 2.994 4.619 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.856 3.278 6.084 1.00 0.00 H new ATOM 204 N GLY A 71 -8.371 6.526 3.321 1.00 0.00 N ATOM 205 CA GLY A 71 -9.319 7.087 2.405 1.00 0.00 C ATOM 206 C GLY A 71 -9.108 6.358 1.122 1.00 0.00 C ATOM 207 O GLY A 71 -9.933 6.427 0.211 1.00 0.00 O ATOM 0 H GLY A 71 -8.272 5.513 3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.339 6.958 2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.158 8.158 2.280 1.00 0.00 H new ATOM 211 N LEU A 72 -7.983 5.615 1.049 1.00 0.00 N ATOM 212 CA LEU A 72 -7.700 4.740 -0.045 1.00 0.00 C ATOM 213 C LEU A 72 -8.623 3.592 0.066 1.00 0.00 C ATOM 214 O LEU A 72 -9.043 3.206 1.157 1.00 0.00 O ATOM 215 CB LEU A 72 -6.318 4.097 0.062 1.00 0.00 C ATOM 216 CG LEU A 72 -5.114 5.044 -0.031 1.00 0.00 C ATOM 217 CD1 LEU A 72 -3.847 4.253 0.334 1.00 0.00 C ATOM 218 CD2 LEU A 72 -5.016 5.680 -1.422 1.00 0.00 C ATOM 0 H LEU A 72 -7.258 5.625 1.766 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.782 5.328 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.262 3.565 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.227 3.350 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.233 5.869 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.979 4.909 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.940 3.866 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.723 3.423 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.154 6.346 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.902 4.898 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.923 6.249 -1.626 1.00 0.00 H new ATOM 230 N ASN A 73 -8.976 3.059 -1.112 1.00 0.00 N ATOM 231 CA ASN A 73 -9.914 1.997 -1.227 1.00 0.00 C ATOM 232 C ASN A 73 -9.280 0.886 -1.983 1.00 0.00 C ATOM 233 O ASN A 73 -9.981 0.040 -2.538 1.00 0.00 O ATOM 234 CB ASN A 73 -11.255 2.412 -1.883 1.00 0.00 C ATOM 235 CG ASN A 73 -11.104 2.808 -3.358 1.00 0.00 C ATOM 236 OD1 ASN A 73 -11.628 2.112 -4.236 1.00 0.00 O ATOM 237 ND2 ASN A 73 -10.411 3.955 -3.625 1.00 0.00 N ATOM 0 H ASN A 73 -8.599 3.375 -2.006 1.00 0.00 H new ATOM 0 HA ASN A 73 -10.176 1.680 -0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.962 1.586 -1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.680 3.249 -1.329 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.306 4.275 -4.588 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.999 4.491 -2.862 1.00 0.00 H new ATOM 244 N TYR A 74 -7.925 0.884 -2.008 1.00 0.00 N ATOM 245 CA TYR A 74 -7.098 -0.116 -2.642 1.00 0.00 C ATOM 246 C TYR A 74 -6.979 0.164 -4.116 1.00 0.00 C ATOM 247 O TYR A 74 -6.020 -0.280 -4.739 1.00 0.00 O ATOM 248 CB TYR A 74 -7.424 -1.594 -2.247 1.00 0.00 C ATOM 249 CG TYR A 74 -7.167 -2.626 -3.301 1.00 0.00 C ATOM 250 CD1 TYR A 74 -8.100 -2.837 -4.303 1.00 0.00 C ATOM 251 CD2 TYR A 74 -6.067 -3.464 -3.232 1.00 0.00 C ATOM 252 CE1 TYR A 74 -7.920 -3.837 -5.236 1.00 0.00 C ATOM 253 CE2 TYR A 74 -5.883 -4.466 -4.165 1.00 0.00 C ATOM 254 CZ TYR A 74 -6.809 -4.652 -5.168 1.00 0.00 C ATOM 255 OH TYR A 74 -6.622 -5.677 -6.119 1.00 0.00 O ATOM 0 H TYR A 74 -7.376 1.619 -1.562 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.093 -0.021 -2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.839 -1.851 -1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.474 -1.650 -1.960 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.979 -2.211 -4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.345 -3.333 -2.440 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.649 -3.982 -6.020 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.013 -5.104 -4.108 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.789 -6.155 -5.925 1.00 0.00 H new ATOM 265 N SER A 75 -7.933 0.920 -4.703 1.00 0.00 N ATOM 266 CA SER A 75 -7.925 1.246 -6.103 1.00 0.00 C ATOM 267 C SER A 75 -7.019 2.405 -6.358 1.00 0.00 C ATOM 268 O SER A 75 -6.324 2.450 -7.369 1.00 0.00 O ATOM 269 CB SER A 75 -9.311 1.625 -6.640 1.00 0.00 C ATOM 270 OG SER A 75 -10.209 0.542 -6.451 1.00 0.00 O ATOM 0 H SER A 75 -8.726 1.313 -4.195 1.00 0.00 H new ATOM 0 HA SER A 75 -7.584 0.346 -6.615 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.681 2.511 -6.125 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.246 1.875 -7.699 1.00 0.00 H new ATOM 0 HG SER A 75 -10.844 0.764 -5.738 1.00 0.00 H new ATOM 276 N THR A 76 -7.028 3.390 -5.441 1.00 0.00 N ATOM 277 CA THR A 76 -6.238 4.575 -5.599 1.00 0.00 C ATOM 278 C THR A 76 -4.862 4.272 -5.092 1.00 0.00 C ATOM 279 O THR A 76 -3.875 4.907 -5.472 1.00 0.00 O ATOM 280 CB THR A 76 -6.815 5.728 -4.832 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.332 5.257 -3.598 1.00 0.00 O ATOM 282 CG2 THR A 76 -7.959 6.341 -5.657 1.00 0.00 C ATOM 0 H THR A 76 -7.584 3.366 -4.586 1.00 0.00 H new ATOM 0 HA THR A 76 -6.219 4.861 -6.651 1.00 0.00 H new ATOM 0 HB THR A 76 -6.044 6.475 -4.643 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.709 6.008 -3.093 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.390 7.182 -5.113 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.571 6.689 -6.614 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.728 5.588 -5.829 1.00 0.00 H new ATOM 290 N PHE A 77 -4.778 3.240 -4.235 1.00 0.00 N ATOM 291 CA PHE A 77 -3.533 2.742 -3.742 1.00 0.00 C ATOM 292 C PHE A 77 -2.835 2.139 -4.905 1.00 0.00 C ATOM 293 O PHE A 77 -1.648 2.376 -5.119 1.00 0.00 O ATOM 294 CB PHE A 77 -3.774 1.619 -2.727 1.00 0.00 C ATOM 295 CG PHE A 77 -2.530 1.170 -2.037 1.00 0.00 C ATOM 296 CD1 PHE A 77 -1.615 2.053 -1.486 1.00 0.00 C ATOM 297 CD2 PHE A 77 -2.331 -0.188 -1.885 1.00 0.00 C ATOM 298 CE1 PHE A 77 -0.526 1.579 -0.782 1.00 0.00 C ATOM 299 CE2 PHE A 77 -1.246 -0.663 -1.177 1.00 0.00 C ATOM 300 CZ PHE A 77 -0.341 0.221 -0.625 1.00 0.00 C ATOM 0 H PHE A 77 -5.592 2.741 -3.877 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.966 3.544 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.492 1.961 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.225 0.768 -3.237 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.754 3.117 -1.608 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.030 -0.884 -2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.182 2.273 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.105 -1.727 -1.055 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.509 -0.149 -0.072 1.00 0.00 H new ATOM 310 N ILE A 78 -3.616 1.367 -5.689 1.00 0.00 N ATOM 311 CA ILE A 78 -3.178 0.603 -6.824 1.00 0.00 C ATOM 312 C ILE A 78 -2.460 1.511 -7.786 1.00 0.00 C ATOM 313 O ILE A 78 -1.440 1.123 -8.354 1.00 0.00 O ATOM 314 CB ILE A 78 -4.343 -0.127 -7.481 1.00 0.00 C ATOM 315 CG1 ILE A 78 -4.134 -1.628 -7.238 1.00 0.00 C ATOM 316 CG2 ILE A 78 -4.528 0.181 -8.985 1.00 0.00 C ATOM 317 CD1 ILE A 78 -5.359 -2.490 -7.541 1.00 0.00 C ATOM 0 H ILE A 78 -4.617 1.270 -5.519 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.482 -0.168 -6.495 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.268 0.228 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.302 -1.971 -7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.846 -1.779 -6.198 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.379 -0.381 -9.370 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.708 1.248 -9.119 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.628 -0.106 -9.529 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.126 -3.536 -7.343 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.190 -2.177 -6.908 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.637 -2.372 -8.588 1.00 0.00 H new ATOM 329 N ASN A 79 -2.979 2.748 -7.972 1.00 0.00 N ATOM 330 CA ASN A 79 -2.472 3.625 -8.991 1.00 0.00 C ATOM 331 C ASN A 79 -1.218 4.284 -8.563 1.00 0.00 C ATOM 332 O ASN A 79 -0.254 4.357 -9.315 1.00 0.00 O ATOM 333 CB ASN A 79 -3.461 4.718 -9.476 1.00 0.00 C ATOM 334 CG ASN A 79 -3.620 6.035 -8.690 1.00 0.00 C ATOM 335 OD1 ASN A 79 -4.502 6.183 -7.843 1.00 0.00 O ATOM 336 ND2 ASN A 79 -2.777 7.043 -9.075 1.00 0.00 N ATOM 0 H ASN A 79 -3.744 3.136 -7.420 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.296 2.960 -9.837 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.173 4.983 -10.493 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.447 4.257 -9.534 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.864 7.969 -8.655 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.062 6.868 -9.782 1.00 0.00 H new ATOM 343 N GLY A 80 -1.252 4.817 -7.340 1.00 0.00 N ATOM 344 CA GLY A 80 -0.198 5.672 -6.856 1.00 0.00 C ATOM 345 C GLY A 80 1.047 4.919 -6.504 1.00 0.00 C ATOM 346 O GLY A 80 2.113 5.516 -6.376 1.00 0.00 O ATOM 0 H GLY A 80 -2.008 4.663 -6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.037 6.417 -7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.550 6.213 -5.978 1.00 0.00 H new ATOM 350 N LEU A 81 0.948 3.592 -6.320 1.00 0.00 N ATOM 351 CA LEU A 81 2.116 2.755 -6.205 1.00 0.00 C ATOM 352 C LEU A 81 2.917 2.777 -7.460 1.00 0.00 C ATOM 353 O LEU A 81 4.134 2.671 -7.401 1.00 0.00 O ATOM 354 CB LEU A 81 1.756 1.291 -5.994 1.00 0.00 C ATOM 355 CG LEU A 81 1.191 1.002 -4.594 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.402 -0.304 -4.605 1.00 0.00 C ATOM 357 CD2 LEU A 81 2.307 0.940 -3.532 1.00 0.00 C ATOM 0 H LEU A 81 0.062 3.091 -6.250 1.00 0.00 H new ATOM 0 HA LEU A 81 2.668 3.153 -5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.023 0.992 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.643 0.679 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 81 0.525 1.823 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.007 -0.499 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.423 -0.225 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.058 -1.123 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.869 0.734 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.010 0.148 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.832 1.895 -3.500 1.00 0.00 H new ATOM 369 N LYS A 82 2.254 2.892 -8.628 1.00 0.00 N ATOM 370 CA LYS A 82 2.912 2.888 -9.904 1.00 0.00 C ATOM 371 C LYS A 82 3.573 4.211 -10.104 1.00 0.00 C ATOM 372 O LYS A 82 4.600 4.301 -10.776 1.00 0.00 O ATOM 373 CB LYS A 82 1.934 2.727 -11.083 1.00 0.00 C ATOM 374 CG LYS A 82 1.044 1.482 -10.971 1.00 0.00 C ATOM 375 CD LYS A 82 -0.124 1.464 -11.970 1.00 0.00 C ATOM 376 CE LYS A 82 0.301 1.476 -13.441 1.00 0.00 C ATOM 377 NZ LYS A 82 -0.892 1.386 -14.310 1.00 0.00 N ATOM 0 H LYS A 82 1.241 2.990 -8.688 1.00 0.00 H new ATOM 0 HA LYS A 82 3.607 2.049 -9.893 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.301 3.612 -11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.502 2.676 -12.012 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.656 0.594 -11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.645 1.422 -9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.729 0.576 -11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.761 2.328 -11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.854 2.389 -13.661 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.972 0.641 -13.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.597 1.395 -15.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.403 0.503 -14.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.517 2.197 -14.127 1.00 0.00 H new ATOM 391 N LYS A 83 2.984 5.267 -9.501 1.00 0.00 N ATOM 392 CA LYS A 83 3.507 6.600 -9.562 1.00 0.00 C ATOM 393 C LYS A 83 4.811 6.632 -8.822 1.00 0.00 C ATOM 394 O LYS A 83 5.733 7.340 -9.224 1.00 0.00 O ATOM 395 CB LYS A 83 2.562 7.643 -8.922 1.00 0.00 C ATOM 396 CG LYS A 83 1.218 7.819 -9.647 1.00 0.00 C ATOM 397 CD LYS A 83 1.321 8.513 -11.011 1.00 0.00 C ATOM 398 CE LYS A 83 -0.042 8.694 -11.685 1.00 0.00 C ATOM 399 NZ LYS A 83 -0.924 9.546 -10.856 1.00 0.00 N ATOM 0 H LYS A 83 2.124 5.190 -8.959 1.00 0.00 H new ATOM 0 HA LYS A 83 3.625 6.859 -10.614 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.368 7.352 -7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.072 8.606 -8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.762 6.839 -9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.548 8.395 -9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.791 9.488 -10.884 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.970 7.929 -11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.090 9.146 -12.668 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.509 7.721 -11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.733 9.867 -11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.270 8.999 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.390 10.372 -10.517 1.00 0.00 H new ATOM 413 N ALA A 84 4.914 5.847 -7.729 1.00 0.00 N ATOM 414 CA ALA A 84 6.122 5.751 -6.961 1.00 0.00 C ATOM 415 C ALA A 84 7.122 4.939 -7.722 1.00 0.00 C ATOM 416 O ALA A 84 8.239 5.394 -7.961 1.00 0.00 O ATOM 417 CB ALA A 84 5.902 5.098 -5.589 1.00 0.00 C ATOM 0 H ALA A 84 4.150 5.272 -7.374 1.00 0.00 H new ATOM 0 HA ALA A 84 6.479 6.767 -6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.849 5.052 -5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.188 5.689 -5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.512 4.089 -5.725 1.00 0.00 H new ATOM 423 N GLY A 85 6.725 3.717 -8.126 1.00 0.00 N ATOM 424 CA GLY A 85 7.556 2.816 -8.872 1.00 0.00 C ATOM 425 C GLY A 85 7.754 1.589 -8.049 1.00 0.00 C ATOM 426 O GLY A 85 8.800 0.946 -8.110 1.00 0.00 O ATOM 0 H GLY A 85 5.797 3.343 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.089 2.566 -9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.515 3.281 -9.100 1.00 0.00 H new ATOM 430 N ILE A 86 6.728 1.253 -7.251 1.00 0.00 N ATOM 431 CA ILE A 86 6.707 0.144 -6.366 1.00 0.00 C ATOM 432 C ILE A 86 5.965 -0.900 -7.147 1.00 0.00 C ATOM 433 O ILE A 86 6.594 -1.841 -7.628 1.00 0.00 O ATOM 434 CB ILE A 86 6.045 0.549 -5.059 1.00 0.00 C ATOM 435 CG1 ILE A 86 6.940 1.592 -4.348 1.00 0.00 C ATOM 436 CG2 ILE A 86 5.793 -0.683 -4.177 1.00 0.00 C ATOM 437 CD1 ILE A 86 6.320 2.168 -3.076 1.00 0.00 C ATOM 0 H ILE A 86 5.862 1.792 -7.226 1.00 0.00 H new ATOM 0 HA ILE A 86 7.684 -0.232 -6.062 1.00 0.00 H new ATOM 0 HB ILE A 86 5.073 1.000 -5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.895 1.129 -4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.152 2.407 -5.040 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.319 -0.373 -3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.140 -1.379 -4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.742 -1.172 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.004 2.891 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.379 2.661 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.133 1.363 -2.365 1.00 0.00 H new ATOM 449 N GLU A 87 4.629 -0.709 -7.317 1.00 0.00 N ATOM 450 CA GLU A 87 3.710 -1.601 -7.994 1.00 0.00 C ATOM 451 C GLU A 87 3.981 -3.013 -7.573 1.00 0.00 C ATOM 452 O GLU A 87 4.378 -3.864 -8.369 1.00 0.00 O ATOM 453 CB GLU A 87 3.724 -1.469 -9.534 1.00 0.00 C ATOM 454 CG GLU A 87 2.543 -2.177 -10.221 1.00 0.00 C ATOM 455 CD GLU A 87 2.732 -2.104 -11.731 1.00 0.00 C ATOM 456 OE1 GLU A 87 3.811 -2.536 -12.217 1.00 0.00 O ATOM 457 OE2 GLU A 87 1.790 -1.633 -12.422 1.00 0.00 O ATOM 0 H GLU A 87 4.161 0.123 -6.958 1.00 0.00 H new ATOM 0 HA GLU A 87 2.705 -1.307 -7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.709 -0.412 -9.800 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.657 -1.881 -9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.488 -3.217 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.603 -1.704 -9.936 1.00 0.00 H new ATOM 464 N LEU A 88 3.831 -3.254 -6.260 1.00 0.00 N ATOM 465 CA LEU A 88 4.355 -4.433 -5.648 1.00 0.00 C ATOM 466 C LEU A 88 3.212 -5.090 -4.940 1.00 0.00 C ATOM 467 O LEU A 88 3.312 -6.226 -4.478 1.00 0.00 O ATOM 468 CB LEU A 88 5.479 -4.015 -4.685 1.00 0.00 C ATOM 469 CG LEU A 88 6.358 -5.147 -4.119 1.00 0.00 C ATOM 470 CD1 LEU A 88 7.209 -5.818 -5.212 1.00 0.00 C ATOM 471 CD2 LEU A 88 7.245 -4.615 -2.978 1.00 0.00 C ATOM 0 H LEU A 88 3.344 -2.628 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 88 4.782 -5.136 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.126 -3.308 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.029 -3.481 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 88 5.694 -5.913 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.813 -6.610 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.555 -6.244 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.863 -5.076 -5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.861 -5.425 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.888 -3.821 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.615 -4.222 -2.180 1.00 0.00 H new ATOM 483 N ASP A 89 2.069 -4.373 -4.889 1.00 0.00 N ATOM 484 CA ASP A 89 0.831 -4.856 -4.334 1.00 0.00 C ATOM 485 C ASP A 89 0.247 -5.892 -5.217 1.00 0.00 C ATOM 486 O ASP A 89 0.814 -6.283 -6.237 1.00 0.00 O ATOM 487 CB ASP A 89 -0.265 -3.768 -4.233 1.00 0.00 C ATOM 488 CG ASP A 89 -0.756 -3.351 -5.622 1.00 0.00 C ATOM 489 OD1 ASP A 89 0.059 -2.868 -6.451 1.00 0.00 O ATOM 490 OD2 ASP A 89 -1.980 -3.520 -5.864 1.00 0.00 O ATOM 0 H ASP A 89 2.002 -3.420 -5.247 1.00 0.00 H new ATOM 0 HA ASP A 89 1.094 -5.223 -3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.102 -4.144 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.129 -2.898 -3.707 1.00 0.00 H new ATOM 495 N ARG A 90 -0.944 -6.322 -4.761 1.00 0.00 N ATOM 496 CA ARG A 90 -1.878 -7.211 -5.358 1.00 0.00 C ATOM 497 C ARG A 90 -1.743 -8.433 -4.531 1.00 0.00 C ATOM 498 O ARG A 90 -2.699 -9.196 -4.403 1.00 0.00 O ATOM 499 CB ARG A 90 -1.724 -7.540 -6.859 1.00 0.00 C ATOM 500 CG ARG A 90 -2.940 -8.256 -7.468 1.00 0.00 C ATOM 501 CD ARG A 90 -2.801 -8.484 -8.976 1.00 0.00 C ATOM 502 NE ARG A 90 -1.650 -9.412 -9.206 1.00 0.00 N ATOM 503 CZ ARG A 90 -1.812 -10.762 -9.335 1.00 0.00 C ATOM 504 NH1 ARG A 90 -3.051 -11.330 -9.305 1.00 0.00 N ATOM 505 NH2 ARG A 90 -0.712 -11.558 -9.496 1.00 0.00 N ATOM 0 H ARG A 90 -1.286 -5.998 -3.856 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.858 -6.735 -5.365 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.547 -6.615 -7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.841 -8.165 -6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.077 -9.216 -6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.837 -7.667 -7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.719 -8.909 -9.382 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.634 -7.537 -9.490 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.710 -9.022 -9.269 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.878 -10.745 -9.185 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.151 -12.340 -9.403 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.219 -11.142 -9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.823 -12.567 -9.593 1.00 0.00 H new ATOM 519 N LYS A 91 -0.538 -8.613 -3.929 1.00 0.00 N ATOM 520 CA LYS A 91 -0.200 -9.684 -3.084 1.00 0.00 C ATOM 521 C LYS A 91 1.228 -9.466 -2.735 1.00 0.00 C ATOM 522 O LYS A 91 2.062 -9.205 -3.601 1.00 0.00 O ATOM 523 CB LYS A 91 -0.456 -11.102 -3.652 1.00 0.00 C ATOM 524 CG LYS A 91 -0.037 -11.344 -5.107 1.00 0.00 C ATOM 525 CD LYS A 91 -0.741 -12.564 -5.721 1.00 0.00 C ATOM 526 CE LYS A 91 -2.259 -12.381 -5.886 1.00 0.00 C ATOM 527 NZ LYS A 91 -2.830 -13.539 -6.608 1.00 0.00 N ATOM 0 H LYS A 91 0.232 -7.956 -4.056 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.858 -9.676 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.068 -11.821 -3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.521 -11.317 -3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.265 -10.459 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.042 -11.489 -5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.301 -12.774 -6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.555 -13.435 -5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.731 -12.282 -4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.466 -11.462 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.856 -13.409 -6.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.390 -13.614 -7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.646 -14.409 -6.069 1.00 0.00 H new ATOM 541 N ILE A 92 1.492 -9.577 -1.411 1.00 0.00 N ATOM 542 CA ILE A 92 2.772 -9.905 -0.824 1.00 0.00 C ATOM 543 C ILE A 92 3.599 -8.639 -0.670 1.00 0.00 C ATOM 544 O ILE A 92 4.795 -8.657 -0.397 1.00 0.00 O ATOM 545 CB ILE A 92 3.419 -11.092 -1.544 1.00 0.00 C ATOM 546 CG1 ILE A 92 2.422 -12.284 -1.611 1.00 0.00 C ATOM 547 CG2 ILE A 92 4.806 -11.497 -0.998 1.00 0.00 C ATOM 548 CD1 ILE A 92 2.874 -13.598 -0.967 1.00 0.00 C ATOM 0 H ILE A 92 0.769 -9.429 -0.706 1.00 0.00 H new ATOM 0 HA ILE A 92 2.665 -10.279 0.194 1.00 0.00 H new ATOM 0 HB ILE A 92 3.634 -10.762 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.491 -11.975 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.196 -12.479 -2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.188 -12.345 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.494 -10.657 -1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.717 -11.775 0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.091 -14.348 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.785 -13.947 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.069 -13.436 0.093 1.00 0.00 H new ATOM 560 N LEU A 93 2.930 -7.479 -0.787 1.00 0.00 N ATOM 561 CA LEU A 93 3.427 -6.200 -0.276 1.00 0.00 C ATOM 562 C LEU A 93 2.510 -5.843 0.798 1.00 0.00 C ATOM 563 O LEU A 93 2.835 -5.150 1.752 1.00 0.00 O ATOM 564 CB LEU A 93 3.219 -5.079 -1.265 1.00 0.00 C ATOM 565 CG LEU A 93 2.832 -3.626 -0.853 1.00 0.00 C ATOM 566 CD1 LEU A 93 3.419 -2.606 -1.846 1.00 0.00 C ATOM 567 CD2 LEU A 93 1.327 -3.328 -0.698 1.00 0.00 C ATOM 0 H LEU A 93 2.021 -7.408 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 93 4.481 -6.309 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.144 -4.999 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.446 -5.418 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 93 3.260 -3.532 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.138 -1.598 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.506 -2.692 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.030 -2.805 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.190 -2.286 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.820 -3.512 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.905 -3.976 0.071 1.00 0.00 H new ATOM 579 N ALA A 94 1.300 -6.344 0.588 1.00 0.00 N ATOM 580 CA ALA A 94 0.240 -6.569 1.506 1.00 0.00 C ATOM 581 C ALA A 94 0.752 -7.134 2.774 1.00 0.00 C ATOM 582 O ALA A 94 0.196 -6.868 3.833 1.00 0.00 O ATOM 583 CB ALA A 94 -0.606 -7.701 0.952 1.00 0.00 C ATOM 0 H ALA A 94 1.027 -6.630 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.282 -5.624 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.433 -7.903 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.000 -7.417 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.007 -8.597 0.849 1.00 0.00 H new ATOM 589 N ASP A 95 1.828 -7.937 2.668 1.00 0.00 N ATOM 590 CA ASP A 95 2.532 -8.445 3.787 1.00 0.00 C ATOM 591 C ASP A 95 2.973 -7.330 4.640 1.00 0.00 C ATOM 592 O ASP A 95 2.695 -7.309 5.829 1.00 0.00 O ATOM 593 CB ASP A 95 3.743 -9.323 3.408 1.00 0.00 C ATOM 594 CG ASP A 95 5.090 -8.664 3.074 1.00 0.00 C ATOM 595 OD1 ASP A 95 5.170 -7.850 2.123 1.00 0.00 O ATOM 596 OD2 ASP A 95 6.069 -8.977 3.804 1.00 0.00 O ATOM 0 H ASP A 95 2.213 -8.237 1.772 1.00 0.00 H new ATOM 0 HA ASP A 95 1.839 -9.091 4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.915 -10.013 4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.452 -9.923 2.546 1.00 0.00 H new ATOM 601 N MET A 96 3.654 -6.361 4.036 1.00 0.00 N ATOM 602 CA MET A 96 4.184 -5.265 4.799 1.00 0.00 C ATOM 603 C MET A 96 3.052 -4.416 5.304 1.00 0.00 C ATOM 604 O MET A 96 3.162 -3.806 6.360 1.00 0.00 O ATOM 605 CB MET A 96 5.264 -4.452 4.053 1.00 0.00 C ATOM 606 CG MET A 96 5.108 -2.930 3.974 1.00 0.00 C ATOM 607 SD MET A 96 4.241 -2.322 2.508 1.00 0.00 S ATOM 608 CE MET A 96 5.689 -2.522 1.429 1.00 0.00 C ATOM 0 H MET A 96 3.844 -6.322 3.035 1.00 0.00 H new ATOM 0 HA MET A 96 4.717 -5.680 5.654 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.223 -4.663 4.526 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.320 -4.833 3.033 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.574 -2.589 4.861 1.00 0.00 H new ATOM 0 HG3 MET A 96 6.099 -2.477 4.005 1.00 0.00 H new ATOM 0 HE1 MET A 96 5.481 -2.079 0.455 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.549 -2.025 1.878 1.00 0.00 H new ATOM 0 HE3 MET A 96 5.907 -3.583 1.306 1.00 0.00 H new ATOM 618 N ALA A 97 1.915 -4.383 4.585 1.00 0.00 N ATOM 619 CA ALA A 97 0.812 -3.545 4.947 1.00 0.00 C ATOM 620 C ALA A 97 0.231 -3.908 6.287 1.00 0.00 C ATOM 621 O ALA A 97 -0.329 -3.040 6.954 1.00 0.00 O ATOM 622 CB ALA A 97 -0.313 -3.568 3.905 1.00 0.00 C ATOM 0 H ALA A 97 1.759 -4.942 3.746 1.00 0.00 H new ATOM 0 HA ALA A 97 1.229 -2.539 4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.123 -2.916 4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.072 -3.219 2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.688 -4.586 3.797 1.00 0.00 H new ATOM 628 N VAL A 98 0.372 -5.184 6.720 1.00 0.00 N ATOM 629 CA VAL A 98 -0.123 -5.613 8.001 1.00 0.00 C ATOM 630 C VAL A 98 1.050 -5.772 8.928 1.00 0.00 C ATOM 631 O VAL A 98 1.049 -5.251 10.041 1.00 0.00 O ATOM 632 CB VAL A 98 -0.839 -6.951 7.972 1.00 0.00 C ATOM 633 CG1 VAL A 98 -1.808 -7.012 9.166 1.00 0.00 C ATOM 634 CG2 VAL A 98 -1.561 -7.172 6.630 1.00 0.00 C ATOM 0 H VAL A 98 0.830 -5.919 6.180 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.839 -4.857 8.322 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.113 -7.760 8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.332 -7.968 9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.247 -6.910 10.095 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.532 -6.201 9.089 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.064 -8.139 6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.297 -6.382 6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.834 -7.151 5.818 1.00 0.00 H new ATOM 644 N ARG A 99 2.065 -6.538 8.475 1.00 0.00 N ATOM 645 CA ARG A 99 3.087 -7.103 9.313 1.00 0.00 C ATOM 646 C ARG A 99 4.200 -6.136 9.591 1.00 0.00 C ATOM 647 O ARG A 99 4.813 -6.215 10.655 1.00 0.00 O ATOM 648 CB ARG A 99 3.779 -8.345 8.700 1.00 0.00 C ATOM 649 CG ARG A 99 2.921 -9.624 8.610 1.00 0.00 C ATOM 650 CD ARG A 99 2.100 -9.835 7.327 1.00 0.00 C ATOM 651 NE ARG A 99 1.564 -11.223 7.382 1.00 0.00 N ATOM 652 CZ ARG A 99 0.369 -11.526 7.968 1.00 0.00 C ATOM 653 NH1 ARG A 99 -0.424 -10.549 8.494 1.00 0.00 N ATOM 654 NH2 ARG A 99 -0.031 -12.831 8.027 1.00 0.00 N ATOM 0 H ARG A 99 2.179 -6.773 7.489 1.00 0.00 H new ATOM 0 HA ARG A 99 2.542 -7.371 10.218 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.119 -8.088 7.697 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.668 -8.569 9.290 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.582 -10.482 8.732 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.233 -9.628 9.455 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.289 -9.110 7.264 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.722 -9.696 6.443 1.00 0.00 H new ATOM 0 HE ARG A 99 2.111 -11.977 6.966 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.127 -9.574 8.453 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.314 -10.793 8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.561 -13.564 7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.922 -13.072 8.462 1.00 0.00 H new ATOM 668 N ASP A 100 4.498 -5.215 8.645 1.00 0.00 N ATOM 669 CA ASP A 100 5.589 -4.287 8.758 1.00 0.00 C ATOM 670 C ASP A 100 5.064 -2.883 8.607 1.00 0.00 C ATOM 671 O ASP A 100 5.194 -2.313 7.530 1.00 0.00 O ATOM 672 CB ASP A 100 6.626 -4.519 7.645 1.00 0.00 C ATOM 673 CG ASP A 100 7.989 -3.933 8.003 1.00 0.00 C ATOM 674 OD1 ASP A 100 8.112 -3.263 9.063 1.00 0.00 O ATOM 675 OD2 ASP A 100 8.935 -4.155 7.202 1.00 0.00 O ATOM 0 H ASP A 100 3.966 -5.115 7.781 1.00 0.00 H new ATOM 0 HA ASP A 100 6.057 -4.433 9.731 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.728 -5.589 7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.270 -4.069 6.718 1.00 0.00 H new ATOM 680 N PRO A 101 4.479 -2.270 9.607 1.00 0.00 N ATOM 681 CA PRO A 101 3.807 -1.005 9.467 1.00 0.00 C ATOM 682 C PRO A 101 4.815 0.101 9.406 1.00 0.00 C ATOM 683 O PRO A 101 4.418 1.233 9.144 1.00 0.00 O ATOM 684 CB PRO A 101 2.935 -0.867 10.719 1.00 0.00 C ATOM 685 CG PRO A 101 3.503 -1.881 11.718 1.00 0.00 C ATOM 686 CD PRO A 101 4.120 -2.949 10.822 1.00 0.00 C ATOM 0 HA PRO A 101 3.212 -0.952 8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.978 0.146 11.119 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.889 -1.078 10.496 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.247 -1.427 12.373 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.724 -2.294 12.358 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.994 -3.399 11.293 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.412 -3.755 10.627 1.00 0.00 H new ATOM 694 N GLN A 102 6.107 -0.200 9.643 1.00 0.00 N ATOM 695 CA GLN A 102 7.160 0.763 9.552 1.00 0.00 C ATOM 696 C GLN A 102 7.429 0.987 8.101 1.00 0.00 C ATOM 697 O GLN A 102 7.558 2.126 7.658 1.00 0.00 O ATOM 698 CB GLN A 102 8.460 0.259 10.201 1.00 0.00 C ATOM 699 CG GLN A 102 8.282 -0.089 11.683 1.00 0.00 C ATOM 700 CD GLN A 102 9.622 -0.593 12.213 1.00 0.00 C ATOM 701 OE1 GLN A 102 10.549 0.188 12.455 1.00 0.00 O ATOM 702 NE2 GLN A 102 9.708 -1.947 12.392 1.00 0.00 N ATOM 0 H GLN A 102 6.425 -1.133 9.903 1.00 0.00 H new ATOM 0 HA GLN A 102 6.852 1.671 10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.812 -0.622 9.664 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.232 1.022 10.101 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.955 0.787 12.244 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.513 -0.851 11.806 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.909 -2.542 12.175 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.572 -2.361 12.743 1.00 0.00 H new ATOM 711 N ALA A 103 7.511 -0.118 7.328 1.00 0.00 N ATOM 712 CA ALA A 103 7.803 -0.052 5.928 1.00 0.00 C ATOM 713 C ALA A 103 6.571 0.378 5.205 1.00 0.00 C ATOM 714 O ALA A 103 6.665 1.151 4.255 1.00 0.00 O ATOM 715 CB ALA A 103 8.250 -1.403 5.360 1.00 0.00 C ATOM 0 H ALA A 103 7.373 -1.065 7.680 1.00 0.00 H new ATOM 0 HA ALA A 103 8.620 0.656 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.459 -1.299 4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.151 -1.735 5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.458 -2.138 5.504 1.00 0.00 H new ATOM 721 N PHE A 104 5.387 -0.102 5.648 1.00 0.00 N ATOM 722 CA PHE A 104 4.125 0.374 5.134 1.00 0.00 C ATOM 723 C PHE A 104 3.992 1.865 5.203 1.00 0.00 C ATOM 724 O PHE A 104 3.502 2.464 4.250 1.00 0.00 O ATOM 725 CB PHE A 104 2.919 -0.191 5.898 1.00 0.00 C ATOM 726 CG PHE A 104 1.609 0.169 5.265 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.348 -0.051 3.922 1.00 0.00 C ATOM 728 CD2 PHE A 104 0.600 0.667 6.068 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.101 0.214 3.396 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.653 0.922 5.547 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.905 0.694 4.210 1.00 0.00 C ATOM 0 H PHE A 104 5.301 -0.823 6.365 1.00 0.00 H new ATOM 0 HA PHE A 104 4.125 0.032 4.099 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.005 -1.276 5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.937 0.181 6.922 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.129 -0.434 3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.794 0.858 7.113 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -0.089 0.046 2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.437 1.300 6.187 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.885 0.890 3.802 1.00 0.00 H new ATOM 741 N GLU A 105 4.415 2.497 6.319 1.00 0.00 N ATOM 742 CA GLU A 105 4.251 3.916 6.497 1.00 0.00 C ATOM 743 C GLU A 105 5.087 4.659 5.497 1.00 0.00 C ATOM 744 O GLU A 105 4.658 5.683 4.972 1.00 0.00 O ATOM 745 CB GLU A 105 4.642 4.365 7.922 1.00 0.00 C ATOM 746 CG GLU A 105 3.990 5.675 8.405 1.00 0.00 C ATOM 747 CD GLU A 105 4.626 6.898 7.752 1.00 0.00 C ATOM 748 OE1 GLU A 105 5.872 7.044 7.855 1.00 0.00 O ATOM 749 OE2 GLU A 105 3.869 7.699 7.141 1.00 0.00 O ATOM 0 H GLU A 105 4.871 2.026 7.100 1.00 0.00 H new ATOM 0 HA GLU A 105 3.196 4.144 6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.380 3.570 8.620 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.725 4.481 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.924 5.655 8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.085 5.751 9.488 1.00 0.00 H new ATOM 756 N GLN A 106 6.295 4.148 5.197 1.00 0.00 N ATOM 757 CA GLN A 106 7.199 4.792 4.283 1.00 0.00 C ATOM 758 C GLN A 106 6.692 4.744 2.878 1.00 0.00 C ATOM 759 O GLN A 106 6.902 5.680 2.112 1.00 0.00 O ATOM 760 CB GLN A 106 8.562 4.084 4.230 1.00 0.00 C ATOM 761 CG GLN A 106 9.437 4.324 5.466 1.00 0.00 C ATOM 762 CD GLN A 106 9.725 5.820 5.590 1.00 0.00 C ATOM 763 OE1 GLN A 106 10.316 6.435 4.696 1.00 0.00 O ATOM 764 NE2 GLN A 106 9.283 6.405 6.745 1.00 0.00 N ATOM 0 H GLN A 106 6.653 3.278 5.591 1.00 0.00 H new ATOM 0 HA GLN A 106 7.287 5.814 4.651 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.399 3.012 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.101 4.421 3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.931 3.963 6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.370 3.767 5.381 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.800 5.845 7.448 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.436 7.401 6.903 1.00 0.00 H new ATOM 773 N VAL A 107 6.025 3.634 2.521 1.00 0.00 N ATOM 774 CA VAL A 107 5.504 3.397 1.202 1.00 0.00 C ATOM 775 C VAL A 107 4.353 4.316 0.992 1.00 0.00 C ATOM 776 O VAL A 107 4.212 4.899 -0.077 1.00 0.00 O ATOM 777 CB VAL A 107 5.066 1.957 1.028 1.00 0.00 C ATOM 778 CG1 VAL A 107 4.076 1.783 -0.143 1.00 0.00 C ATOM 779 CG2 VAL A 107 6.351 1.138 0.821 1.00 0.00 C ATOM 0 H VAL A 107 5.839 2.870 3.171 1.00 0.00 H new ATOM 0 HA VAL A 107 6.285 3.584 0.465 1.00 0.00 H new ATOM 0 HB VAL A 107 4.521 1.613 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.792 0.734 -0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.187 2.386 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.549 2.106 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.095 0.087 0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.873 1.498 -0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.997 1.248 1.692 1.00 0.00 H new ATOM 789 N VAL A 108 3.515 4.472 2.027 1.00 0.00 N ATOM 790 CA VAL A 108 2.342 5.294 1.990 1.00 0.00 C ATOM 791 C VAL A 108 2.742 6.721 1.805 1.00 0.00 C ATOM 792 O VAL A 108 2.133 7.434 1.013 1.00 0.00 O ATOM 793 CB VAL A 108 1.556 5.120 3.266 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.632 6.314 3.548 1.00 0.00 C ATOM 795 CG2 VAL A 108 0.773 3.805 3.113 1.00 0.00 C ATOM 0 H VAL A 108 3.656 4.010 2.925 1.00 0.00 H new ATOM 0 HA VAL A 108 1.710 4.996 1.154 1.00 0.00 H new ATOM 0 HB VAL A 108 2.223 5.077 4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.088 6.142 4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.228 7.222 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.077 6.427 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.183 3.626 4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.110 3.875 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.471 2.981 2.968 1.00 0.00 H new ATOM 805 N ASN A 109 3.789 7.162 2.523 1.00 0.00 N ATOM 806 CA ASN A 109 4.258 8.518 2.465 1.00 0.00 C ATOM 807 C ASN A 109 4.767 8.821 1.085 1.00 0.00 C ATOM 808 O ASN A 109 4.547 9.913 0.563 1.00 0.00 O ATOM 809 CB ASN A 109 5.402 8.763 3.468 1.00 0.00 C ATOM 810 CG ASN A 109 5.935 10.188 3.310 1.00 0.00 C ATOM 811 OD1 ASN A 109 7.088 10.391 2.908 1.00 0.00 O ATOM 812 ND2 ASN A 109 5.065 11.192 3.635 1.00 0.00 N ATOM 0 H ASN A 109 4.323 6.568 3.158 1.00 0.00 H new ATOM 0 HA ASN A 109 3.419 9.167 2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.044 8.610 4.486 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.204 8.044 3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.356 12.166 3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.125 10.967 3.961 1.00 0.00 H new ATOM 819 N LYS A 110 5.445 7.835 0.465 1.00 0.00 N ATOM 820 CA LYS A 110 6.050 7.983 -0.827 1.00 0.00 C ATOM 821 C LYS A 110 4.992 8.090 -1.882 1.00 0.00 C ATOM 822 O LYS A 110 5.196 8.765 -2.884 1.00 0.00 O ATOM 823 CB LYS A 110 6.941 6.771 -1.174 1.00 0.00 C ATOM 824 CG LYS A 110 7.838 6.977 -2.404 1.00 0.00 C ATOM 825 CD LYS A 110 8.623 5.722 -2.816 1.00 0.00 C ATOM 826 CE LYS A 110 9.666 5.262 -1.795 1.00 0.00 C ATOM 827 NZ LYS A 110 10.361 4.058 -2.300 1.00 0.00 N ATOM 0 H LYS A 110 5.576 6.909 0.873 1.00 0.00 H new ATOM 0 HA LYS A 110 6.659 8.886 -0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.570 6.540 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.304 5.903 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.221 7.300 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.542 7.783 -2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.918 4.908 -2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.123 5.917 -3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 110 10.386 6.059 -1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.184 5.043 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.069 3.748 -1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.669 3.296 -2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.834 4.282 -3.199 1.00 0.00 H new ATOM 841 N VAL A 111 3.842 7.420 -1.681 1.00 0.00 N ATOM 842 CA VAL A 111 2.781 7.326 -2.646 1.00 0.00 C ATOM 843 C VAL A 111 1.884 8.501 -2.538 1.00 0.00 C ATOM 844 O VAL A 111 1.224 8.844 -3.511 1.00 0.00 O ATOM 845 CB VAL A 111 2.020 6.021 -2.441 1.00 0.00 C ATOM 846 CG1 VAL A 111 0.627 6.015 -3.096 1.00 0.00 C ATOM 847 CG2 VAL A 111 2.902 4.887 -2.993 1.00 0.00 C ATOM 0 H VAL A 111 3.640 6.923 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 111 3.200 7.324 -3.652 1.00 0.00 H new ATOM 0 HB VAL A 111 1.826 5.887 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.142 5.057 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.022 6.816 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.729 6.168 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.391 3.933 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.092 5.057 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.849 4.867 -2.453 1.00 0.00 H new ATOM 857 N LYS A 112 1.854 9.189 -1.389 1.00 0.00 N ATOM 858 CA LYS A 112 0.982 10.321 -1.244 1.00 0.00 C ATOM 859 C LYS A 112 1.693 11.503 -1.777 1.00 0.00 C ATOM 860 O LYS A 112 1.101 12.557 -1.952 1.00 0.00 O ATOM 861 CB LYS A 112 0.593 10.575 0.223 1.00 0.00 C ATOM 862 CG LYS A 112 -0.698 9.853 0.650 1.00 0.00 C ATOM 863 CD LYS A 112 -0.926 8.496 -0.035 1.00 0.00 C ATOM 864 CE LYS A 112 -2.093 7.703 0.549 1.00 0.00 C ATOM 865 NZ LYS A 112 -3.362 8.442 0.390 1.00 0.00 N ATOM 0 H LYS A 112 2.420 8.973 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 112 0.058 10.126 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 112 1.410 10.253 0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.468 11.647 0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.675 9.702 1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.549 10.501 0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.105 8.661 -1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -0.017 7.901 0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -2.166 6.736 0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.912 7.506 1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -4.150 7.856 0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -3.322 9.324 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -3.509 8.667 -0.615 1.00 0.00 H new ATOM 879 N GLU A 113 2.980 11.334 -2.081 1.00 0.00 N ATOM 880 CA GLU A 113 3.802 12.372 -2.597 1.00 0.00 C ATOM 881 C GLU A 113 3.973 12.157 -4.048 1.00 0.00 C ATOM 882 O GLU A 113 4.164 13.087 -4.830 1.00 0.00 O ATOM 883 CB GLU A 113 5.174 12.149 -1.995 1.00 0.00 C ATOM 884 CG GLU A 113 6.243 13.123 -2.474 1.00 0.00 C ATOM 885 CD GLU A 113 7.463 12.939 -1.586 1.00 0.00 C ATOM 886 OE1 GLU A 113 8.022 11.809 -1.573 1.00 0.00 O ATOM 887 OE2 GLU A 113 7.849 13.924 -0.904 1.00 0.00 O ATOM 0 H GLU A 113 3.468 10.446 -1.965 1.00 0.00 H new ATOM 0 HA GLU A 113 3.377 13.353 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 113 5.096 12.220 -0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 113 5.497 11.134 -2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 113 6.496 12.932 -3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 113 5.879 14.149 -2.417 1.00 0.00 H new ATOM 894 N ALA A 114 3.916 10.872 -4.413 1.00 0.00 N ATOM 895 CA ALA A 114 4.173 10.463 -5.773 1.00 0.00 C ATOM 896 C ALA A 114 2.925 10.697 -6.552 1.00 0.00 C ATOM 897 O ALA A 114 2.950 11.030 -7.735 1.00 0.00 O ATOM 898 CB ALA A 114 4.520 8.978 -5.932 1.00 0.00 C ATOM 0 H ALA A 114 3.693 10.107 -3.776 1.00 0.00 H new ATOM 0 HA ALA A 114 5.033 11.038 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.698 8.757 -6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.417 8.750 -5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.692 8.370 -5.568 1.00 0.00 H new ATOM 904 N LEU A 115 1.800 10.546 -5.841 1.00 0.00 N ATOM 905 CA LEU A 115 0.486 10.865 -6.313 1.00 0.00 C ATOM 906 C LEU A 115 0.426 12.338 -6.200 1.00 0.00 C ATOM 907 O LEU A 115 -0.098 13.021 -7.079 1.00 0.00 O ATOM 908 CB LEU A 115 -0.604 10.206 -5.461 1.00 0.00 C ATOM 909 CG LEU A 115 -2.016 10.631 -5.875 1.00 0.00 C ATOM 910 CD1 LEU A 115 -2.391 10.231 -7.313 1.00 0.00 C ATOM 911 CD2 LEU A 115 -3.052 10.088 -4.880 1.00 0.00 C ATOM 0 H LEU A 115 1.802 10.183 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 115 0.312 10.503 -7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.517 9.122 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -0.445 10.462 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.020 11.721 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.405 10.567 -7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.696 10.696 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.338 9.147 -7.415 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.050 10.399 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.001 8.999 -4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -2.841 10.480 -3.885 1.00 0.00 H new